N-[3-(azepan-1-yl)propyl]-2-(3,7-dimethyl-4-oxo-2-phenyl-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl)butanamide
Chemical Structure Depiction of
N-[3-(azepan-1-yl)propyl]-2-(3,7-dimethyl-4-oxo-2-phenyl-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl)butanamide
N-[3-(azepan-1-yl)propyl]-2-(3,7-dimethyl-4-oxo-2-phenyl-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl)butanamide
Compound characteristics
| Compound ID: | G740-1292 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-2-(3,7-dimethyl-4-oxo-2-phenyl-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl)butanamide |
| Molecular Weight: | 464.61 |
| Molecular Formula: | C26 H36 N6 O2 |
| Smiles: | CCC(C(NCCCN1CCCCCC1)=O)N1C(c2c(C(C)=N1)nn(c1ccccc1)c2C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4485 |
| logD: | 0.8199 |
| logSw: | -3.5797 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.3 |
| InChI Key: | YIOMAIVGGHOWJB-QFIPXVFZSA-N |